3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

C12H23N5O — CID 91765640

IUPAC3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN(C)C)nnc1C1CC(N)C1
InChIInChI=1S/C12H23N5O/c1-16(2)8-11-14-15-12(9-6-10(13)7-9)17(11)4-5-18-3/h9-10H,4-8,13H2,1-3H3
InChIKeySKKAAXLPIVMTFR-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.19
Rot. Bonds6

About 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91765640) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91765640
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN(C)C)nnc1C1CC(N)C1
InChIInChI=1S/C12H23N5O/c1-16(2)8-11-14-15-12(9-6-10(13)7-9)17(11)4-5-18-3/h9-10H,4-8,13H2,1-3H3
InChIKeySKKAAXLPIVMTFR-UHFFFAOYSA-N
XLogP0.19
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91765640) is 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is COCCn1c(CN(C)C)nnc1C1CC(N)C1.
What is the InChIKey of 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is SKKAAXLPIVMTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-16(2)8-11-14-15-12(9-6-10(13)7-9)17(11)4-5-18-3/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91765640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).